2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

C20H21N5O4 — CID 42893018

IUPAC2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)c1
InChIInChI=1S/C20H21N5O4/c1-13(25-12-21-11-22-25)19(26)23-14-4-6-15(7-5-14)24-20(27)17-10-16(28-2)8-9-18(17)29-3/h4-13H,1-3H3,(H,23,26)(H,24,27)
InChIKeyMZRWAKCUYPZPRB-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.75
Rot. Bonds7

About 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (PubChem CID 42893018) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
PubChem CID42893018
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)c1
InChIInChI=1S/C20H21N5O4/c1-13(25-12-21-11-22-25)19(26)23-14-4-6-15(7-5-14)24-20(27)17-10-16(28-2)8-9-18(17)29-3/h4-13H,1-3H3,(H,23,26)(H,24,27)
InChIKeyMZRWAKCUYPZPRB-UHFFFAOYSA-N
XLogP2.75
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide (CID 42893018) is 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is COc1ccc(OC)c(C(=O)Nc2ccc(NC(=O)C(C)n3cncn3)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
The InChIKey is MZRWAKCUYPZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-13(25-12-21-11-22-25)19(26)23-14-4-6-15(7-5-14)24-20(27)17-10-16(28-2)8-9-18(17)29-3/h4-13H,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide?
2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 42893018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).